SCHEMBL7460895

SCHEMBL7460895

CCOC(=O)CCCCOc1ccc2[nH]cc(CCN)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.70
HTR1B P28222 16/20 0.70
HTR1D P28221 16/20 0.70
MAPT P10636 2/20 0.69
MAPK1 P28482 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
KDM4E B2RXH2 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
HTR2A P28223 1/20 0.69
CYP2C19 P33261 1/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
EGFR P00533 1/20 0.56
IGF1R P08069 1/20 0.56
FLT4 P35916 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8619243 0.99 MAPT (0.69) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7456106 0.99 HTR1A (0.71) HTR1AHTR1BHTR1DMAPTMAPK1
Hydrochloric Acid SCHEMBL8615488 0.98 MAPT (0.71) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7458272 0.97 HTR1A (0.68) HTR1AHTR1BHTR1DMAPTMAPK1
Hydrochloric Acid SCHEMBL8658704 0.96 MAPT (0.67) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7461238 0.86 HTR1A (0.67) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7460862 0.86 MAPT (0.68) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL1388943 0.85 HTR1A (0.77) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7461622 0.85 HTR1A (0.69) HTR1AHTR1BHTR1DMAPTMAPK1
Hydrochloric Acid SCHEMBL8614669 0.85 HTR1A (0.66) HTR1AHTR1BHTR1DMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782568-B1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PF MEDICAMENT (FR) 2002-04-24 EP claimed